Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc3nc(c(c2cc1nccnc1cc2)n3)c4nc(c(F)cc4)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1[nH]c(c2ccc3nccnc3c2)c(n1)c4ccc(F)c(C)n4 |
SMILES | CACTVS | 3.341 | CC(=O)Nc1[nH]c(c2ccc3nccnc3c2)c(n1)c4ccc(F)c(C)n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F |
InChI | InChI | 1.03 | InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27) |
InChIKey | InChI | 1.03 | TYPILNNEZPSNTI-UHFFFAOYSA-N |